2-ethynyl-N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxy-phenyl]quinazolin-4-amine

Systemtic Name: 2-ethynyl-N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxy-phenyl]quinazolin-4-amine Openeye Name: 2-ethynyl-N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxy-phenyl]quinazolin-4-amine CAS Name: 2-ethynyl-N-[3-methyl-4-[(2-methyl-5-pyrimidinyl)oxy]phenyl]-4-quinazolinamine IUPAC Name: 2-ethynyl-N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine Traditional Name: (2-ethynylquinazolin-4-yl)-[3-methyl-4-(2-methylpyrimidin-5-yl)oxy-phenyl]amine Formula: C22H17N5O MolecularWeight: 367.40328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=CN=C(N=C4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C#C)OC4=CN=C(N=C4)C

InChI

InChI=1S/C22H17N5O/c1-4-21-26-19-8-6-5-7-18(19)22(27-21)25-16-9-10-20(14(2)11-16)28-17-12-23-15(3)24-13-17/h1,5-13H,2-3H3,(H,25,26,27)